ICI 118551 hydrochloride, beta2 adrenoceptor antagonist

주요 정보

CAS 번호

72795-04-1

Purity

>99%

제형

Solid

form

Molecular weight

313.9 Da

Molecular formula

C₁₇H₂₈ClNO₂

PubChem

25102594

Nature

Synthetic

Solubility

Soluble in water to 10 mM

Soluble in DMSO to 10 mM

생화학적 명칭

ICI 118,551 hydrochloride

생물학적 정보

Highly selective β2 adrenoceptor antagonist (Ki values are 1.2, 120 and 257 nM at β2, β1 and β3 receptors, respectively). Blood-brain barrier permeable. Decreases vascular tone *in vivo*.

Canonical SMILES

CC1=C2CCCC2=C(C=C1)OCC(C(C)NC(C)C)O.Cl

Isomeric SMILES

CC1=C2CCCC2=C(C=C1)OC[C@@H]([C@H](C)NC(C)C)O.Cl

InChi

InChI=1S/C17H27NO2.ClH/c1-11(2)18-13(4)16(19)10-20-17-9-8-12(3)14-6-5-7-15(14)17;/h8-9,11,13,16,18-19H,5-7,10H2,1-4H3;1H/t13-,16-;/m0./s1

InChiKey

KBXMBGWSOLBOQM-LINSIKMZSA-N

IUPAC Name

(2R,3S)-1-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-3-(propan-2-ylamino)butan-2-ol;hydrochloride